ethyl 2-[[2-(1-azanylpropyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[[2-(1-azanylpropyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 2-[[2-(1-aminopropyl)thiazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-aminopropyl)-4-thiazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-aminopropyl)-1,3-thiazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-aminopropyl)thiazole-4-carbonyl]amino]-3-(benzylthio)propionic acid ethyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(=CS1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC)N

Isomeric SMILES

CCC(C1=NC(=CS1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC)N

InChI

InChI=1S/C19H25N3O3S2/c1-3-14(20)18-22-15(12-27-18)17(23)21-16(19(24)25-4-2)11-26-10-13-8-6-5-7-9-13/h5-9,12,14,16H,3-4,10-11,20H2,1-2H3,(H,21,23)